3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-(4-chlorophenyl)-

Base Information

Chemical Name:3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-(4-chlorophenyl)-
CAS No.:109343-66-0
Molecular Formula:C₂₃H₁₄BrClN₆S
Molecular Weight:521.827
Hs Code.:
DSSTox Substance ID:DTXSID90148900
Wikidata:Q83014566
Mol file:109343-66-0.mol

Synonyms:BRN 5667993;109343-66-0;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-(4-chlorophenyl)-;C23H14BrClN6S;DTXSID90148900;LS-156161

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Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-(4-chlorophenyl)-

Chemical Property:

Vapor Pressure:1.88E-16mmHg at 25°C
Boiling Point:643.5°Cat760mmHg
Flash Point:343°C
Density:1.72g/cm³
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:519.98726
Heavy Atom Count:32
Complexity:761

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)CC5=NNC(=S)N5C6=CC=C(C=C6)Cl

Technology Process of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-(4-chlorophenyl)-

There total 5 articles about 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-(4-chlorophenyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 70.0%

: 109322-20-5
C₂₃H₁₆BrClN₆OS

: 109343-66-0
5-(9-Bromo-indolo[2,3-b]quinoxalin-6-ylmethyl)-4-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol

Guidance literature:: With sodium hydroxide; for 4h; Heating;

Reference yield:

: 2131-55-7
4-Chlorophenyl isothiocyanate

: 109343-66-0
5-(9-Bromo-indolo[2,3-b]quinoxalin-6-ylmethyl)-4-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / ethanol / 1 h / Heating

2: 70 percent / 2N NaOH / 4 h / Heating

With sodium hydroxide; In ethanol;

Reference yield:

: 109321-96-2
ethyl 2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetate

: 109343-66-0
5-(9-Bromo-indolo[2,3-b]quinoxalin-6-ylmethyl)-4-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / hydrazine hydrate / ethanol / 6 h / Heating

2: 60 percent / ethanol / 1 h / Heating

3: 70 percent / 2N NaOH / 4 h / Heating

With sodium hydroxide; hydrazine hydrate; In ethanol;